3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((phenylmethyl)sulfonyl)-
TL;DR: 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((phenylmethyl)sulfonyl)- (CAS 120465-62-5) is a chemical compound with molecular formula C20H32N2O2S and molecular weight 364.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylsulfonyl-7-butyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane
Also Known As: 3-Butyl-9,9-dimethyl-7-((phenylmethyl)sulfonyl)-3,7-diazabicyclo(3.3.1)nonane, 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((phenylmethyl)sulfonyl)-, 3-benzylsulfonyl-7-butyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane, 3-Butyl-9,9-dimethyl-7-(phenylmethanesulfonyl)-3,7-diazabicyclo[3.3.1]nonane, RefChem:272534
| Molecular Formula | C20H32N2O2S |
|---|---|
| Molecular Weight | 364.22 g/mol |
| LogP | 3.2063 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 364.21844 |
| Heavy Atoms | 25 |
| Complexity | 654.1964 |
Chemical Identifiers
| CAS Number | 120465-62-5 |
|---|---|
| SMILES | CCCCN1CC2CN(CC(C1)C2(C)C)S(=O)(=O)CC3=CC=CC=C3 |
Product Overview
3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((phenylmethyl)sulfonyl)- (CAS 120465-62-5), with molecular formula C20H32N2O2S and molecular weight 364.22 g/mol. IUPAC: 3-benzylsulfonyl-7-butyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane.
Chemical Property Profile of 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((phenylmethyl)sulfonyl)-
Property Insights of 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((phenylmethyl)sulfonyl)-
The XLogP value of 3.2063 indicates that 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((phenylmethyl)sulfonyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.62 Ų, 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((phenylmethyl)sulfonyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((phenylmethyl)sulfonyl)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((phenylmethyl)sulfonyl)-?
The CAS number of 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((phenylmethyl)sulfonyl)- is 120465-62-5.
What is the molecular formula of 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((phenylmethyl)sulfonyl)-?
The molecular formula of 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((phenylmethyl)sulfonyl)- is C20H32N2O2S.
What is the molecular weight of 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((phenylmethyl)sulfonyl)-?
The molecular weight of 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((phenylmethyl)sulfonyl)- is 364.22 g/mol.
Where can I buy 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((phenylmethyl)sulfonyl)-?
You can request a quote for 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((phenylmethyl)sulfonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((phenylmethyl)sulfonyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((phenylmethyl)sulfonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.